2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide

C16H15ClN4O — CID 133441762

IUPAC2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCC(=O)NCC1CC1
InChIInChI=1S/C16H15ClN4O/c17-12-3-4-14-13(5-12)16(11(6-18)8-19-14)21-9-15(22)20-7-10-1-2-10/h3-5,8,10H,1-2,7,9H2,(H,19,21)(H,20,22)
InChIKeyLZILPGFXVFREGH-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.70
Rot. Bonds5

About 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide

2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide (PubChem CID 133441762) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
PubChem CID133441762
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCC(=O)NCC1CC1
InChIInChI=1S/C16H15ClN4O/c17-12-3-4-14-13(5-12)16(11(6-18)8-19-14)21-9-15(22)20-7-10-1-2-10/h3-5,8,10H,1-2,7,9H2,(H,19,21)(H,20,22)
InChIKeyLZILPGFXVFREGH-UHFFFAOYSA-N
XLogP2.70
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317003
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599
N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
CID 28568189
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167825702
6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353488
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
CID 71779770
2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115649355
6-chloro-4-[(2-hydroxy-2,3-dimethylpentyl)amino]quinoline-3-carbonitrile
CID 133352675

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide (CID 133441762) is 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide is N#Cc1cnc2ccc(Cl)cc2c1NCC(=O)NCC1CC1.
What is the InChIKey of 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is LZILPGFXVFREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-12-3-4-14-13(5-12)16(11(6-18)8-19-14)21-9-15(22)20-7-10-1-2-10/h3-5,8,10H,1-2,7,9H2,(H,19,21)(H,20,22).
What are the key properties of 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide?
2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 314.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 133441762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).